3,6-dipyridin-4-yl-1,2,4,5-tetrazine

C12H8N6 — CID 4980025

IUPAC3,6-dipyridin-4-yl-1,2,4,5-tetrazine
SMILESc1cc(-c2nnc(-c3ccncc3)nn2)ccn1
InChIInChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
InChIKeyMQSMIIJCRWDMDL-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.39
Rot. Bonds2

About 3,6-dipyridin-4-yl-1,2,4,5-tetrazine

3,6-dipyridin-4-yl-1,2,4,5-tetrazine (PubChem CID 4980025) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,6-dipyridin-4-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-dipyridin-4-yl-1,2,4,5-tetrazine
PubChem CID4980025
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name3,6-dipyridin-4-yl-1,2,4,5-tetrazine
SMILESc1cc(-c2nnc(-c3ccncc3)nn2)ccn1
InChIInChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
InChIKeyMQSMIIJCRWDMDL-UHFFFAOYSA-N
XLogP1.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dipyridin-4-yl-1,2,4,5-tetrazine?
The IUPAC name of 3,6-dipyridin-4-yl-1,2,4,5-tetrazine (CID 4980025) is 3,6-dipyridin-4-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-dipyridin-4-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-dipyridin-4-yl-1,2,4,5-tetrazine is c1cc(-c2nnc(-c3ccncc3)nn2)ccn1.
What is the InChIKey of 3,6-dipyridin-4-yl-1,2,4,5-tetrazine?
The InChIKey is MQSMIIJCRWDMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H.
What are the key properties of 3,6-dipyridin-4-yl-1,2,4,5-tetrazine?
3,6-dipyridin-4-yl-1,2,4,5-tetrazine has a molecular weight of 236.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipyridin-4-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 4980025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).